Glycoside
GD151728
Name:
3''-O-[Beta-D-Apiofuranosyl-(1-6)-Beta-D-Glucopyranosyl]-Oxypeucedanin Hy+Formula:
C27H34O15Smiles:
CC(C)(OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)C(O)COc1c2ccoc2cc2oc(=O)ccc12Aglycone:
CC(C)(O)C(O)COc1c2ccoc2cc2oc(=O)ccc12Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 10 |
| MolWt: | 598.55 | Num_heavy_atoms: | 42 |
| TPSA: | 231.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD40827
Formula: C16H16O6
Smiles:
CC(C)(O)C(O)COc1c2ccoc2cc2oc(=O)ccc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 93.04 | NumAromaticRings: | 3 |
